N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide
Formula:C16H13N3O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide |
| MolecularFormula | C16H13N3O2ClF |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1F)=O)NCc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H13ClFN3O2/c17-13-5-1-11(2-6-13)9-19-15(22)16(23)21-20-10-12-3-7-14(18)8-4-12/h1-8,10H,9H2,(H,19,22)(H,21,23) |
| InChIK | KVXXRODUYGSOPF-UHFFFAOYSA-N |
| TotalMolweight | 333.749 |
| Molweight | 333.749 |
| MonoisotopicMass | 333.068032 |
| CLogP | 2.5601 |
| CLogS | -4.391 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 251.73 |
| Relative PSA | 0.24038 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 2.7259 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide | 2 - N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-fluorophenyl)methylideneamino]oxamide
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